SCHEMBL8969661

SCHEMBL8969661

Cc1ccc2c(=N)n3c(nc2c1)C1CC2CC(C1)CC3C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.34
ALDH1A1 P00352 4/20 0.33
HRH4 Q9H3N8 1/20 0.33
ACHE P22303 4/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 3/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PSMB5 P28074 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8969894 0.89 KDM4E (0.38) BCHEALDH1A1HRH4ACHEGRIN1
SCHEMBL8970437 0.85 MPO (0.36) BCHEACHE
SCHEMBL8969460 0.85 ACHE (0.42) BCHEACHEHSD17B10POLBTSHR
SCHEMBL8969797 0.77 LRRK2 (0.39) ALDH1A1ACHELMNAKDM4EL3MBTL1
SCHEMBL8968811 0.74 LRRK2 (0.38)
SCHEMBL8969422 0.73 HRH4 (0.34) BCHEHRH4ACHEGRIN1GRIN2A
SCHEMBL8968721 0.73 KDM4E (0.38) ALDH1A1HRH4HSD17B10SMN1; SMN2POLB
SCHEMBL8968897 0.69 BCHE (0.31) BCHEACHE
SCHEMBL8968188 0.69 ACHE (0.32) ACHE
SCHEMBL8968606 0.69 ACHE (0.39) ACHEMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed